| SpectraBase Compound ID | G3NSOwlX7ME |
|---|---|
| InChI | InChI=1S/C8H2Cl2N2/c9-7-1-5(3-11)8(10)2-6(7)4-12/h1-2H |
| InChIKey | UCRQGBRIGDKUAM-UHFFFAOYSA-N |
| Mol Weight | 197.02 g/mol |
| Molecular Formula | C8H2Cl2N2 |
| Exact Mass | 195.959503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DDydo2FY0VR |
|---|---|
| Name | 2,5-Dichloroterephthalonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.959503472 u |
| Formula | C8H2Cl2N2 |
| InChI | InChI=1S/C8H2Cl2N2/c9-7-1-5(3-11)8(10)2-6(7)4-12/h1-2H |
| InChIKey | UCRQGBRIGDKUAM-UHFFFAOYSA-N |
| Molecular Weight | 197.024 g/mol |
| SMILES | C1(Cl)=C(C=C(C(=C1)C#N)Cl)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934163 |